Fig 1.
Overview of the QCloud system structure consisting in i) a thin client in the mass spectrometer acquisition computer, ii) the cloud-based processing infrastructure, and iii) the web user interface.
Fig 2.
Detailed scheme of the cloud-based processing infrastructure pipeline.
Fig 3.
Table scheme and relationship of the persistent layer.
Fig 4.
A) Schematic architecture of the server back and front-end. B) Example of quality control data point annotations with controlled vocabulary in the QCloud system in a profile plot of log2(Area) of multiple selected peptides (see Table 2).
Table 1.
List of quality control parameters currently extracted by QCloud.
Table 2.
List of monitored peptides for QC1 and QC2 samples.
Fig 5.
A sample of several quality control charts displayed in the web interface by the QCloud system, including peptide areas, injection time, total numbers of proteins, peptides and PSM, chromatographic resolution, peak capacity, and retention time drift. Plotted parameters are defined in Table 1.
Fig 6.
A) Example of slight mass calibration problems identified using QC1 controls after an instrument maintenance procedure; B) Sudden losses of performance classified as non-conformities QC1 samples (red dots) that triggered maintenance interventions annotated as vertical lines; C) Example of sample carry over detected in the TIC plot of one QC1 sample acquired after a problematic sample; D) Increase in the total number of PSMs, peptides, and proteins from a QC2 quality control sample after a cleaning routine. All plots correspond to quality control data generated in an Orbitrap Fusion Lumos.